Thermodynamic modeling and phase diagram prediction of salt lake brine systems II. Aqueous Li+-Na+-K+-SO42- and its subsystems

Huan Zhou; Peng Wu; Wenxuan Li; Xingfan Wang; Kuo Zhou; Qing Hao

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Thermodynamic modeling and phase diagram prediction of salt lake brine systems II. Aqueous Li⁺-Na⁺-K⁺-SO₄^2- and its subsystems

Chemical Engineering Thermodynamics | Updated：2026-01-06

- Thermodynamic modeling and phase diagram prediction of salt lake brine systems II. Aqueous Li⁺-Na⁺-K⁺-SO₄^2- and its subsystems
- Chinese Journal of Chemical Engineering Vol. 34, Issue 6, Pages: 134-149(2021)
- Affiliations：
  
  1. College of Chemical Engineering and Materials Science, Tianjin Key Laboratory of Brine Resources and Eco-utilization, Tianjin University of Science and Technology,Tianjin,China,300457
  2. College of Marine and Environmental Sciences, Tianjin Key Laboratory of Brine Resources and Eco-utilization, Tianjin University of Science and Technology,Tianjin,China,300457
- Author bio：
- Funds：
- DOI：
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- Published：2021
- Accepted：
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摘要

Abstract

It is still a challenging task to accurately and temperature-continuously express the thermodynamic properties and phase equilibrium behaviors of the salt-lake brine with multi-component

multi-temperature and high concentration. The essential subsystem of sulfate type brine

aqueous Li

-Na

-K

-SO

and its subsystems across a temperature range from 250 K to 643 K are investigated with the improved comprehensive thermodynamic model. Liquid parameters (Δ

and Δ

) associated with the contributions of Gibbs energy

enthalpy

and heat capacity to the binary interaction parameters

i.e. the temperature coefficients of eNRTL parameters formulated with a Gibbs Helmholtz expression

are determined

via

multi-objective optimization method. The solid constants Δ

°(298.15)

and Δ

°(298.15)

of 11 solid species occurred in the quaternary system are rebuilt from multi-temperature solub

ilities. The modeling results show the accurate representation of (1) solution properties and binary phase diagram at temperature ranges from eutectic points to 643 K; (2) isothermal phase diagrams for Li

-Na

-H

-K

-H

O and Na

-K

-H

O ternary systems. The predicted results of complete structure and polythermal phase diagram of ternary systems and the isothermal phase diagrams of quaternary system excellently match with the experimental data.

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